5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine

C13H21N3OS — CID 55046608

IUPAC5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN2CCS(=O)CC2)cn1
InChIInChI=1S/C13H21N3OS/c1-2-5-14-13-4-3-12(10-15-13)11-16-6-8-18(17)9-7-16/h3-4,10H,2,5-9,11H2,1H3,(H,14,15)
InChIKeyWTUMPNOUSWQZAX-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.47
Rot. Bonds5

About 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine

5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 55046608) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine
PubChem CID55046608
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(CN2CCS(=O)CC2)cn1
InChIInChI=1S/C13H21N3OS/c1-2-5-14-13-4-3-12(10-15-13)11-16-6-8-18(17)9-7-16/h3-4,10H,2,5-9,11H2,1H3,(H,14,15)
InChIKeyWTUMPNOUSWQZAX-UHFFFAOYSA-N
XLogP1.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-N-propylpyridin-2-amine
CID 107459113
1-methyl-3-[[6-(propylamino)-3-pyridinyl]methyl]imidazolidin-2-one
CID 62492392
4-methyl-1-[[6-(propylamino)-3-pyridinyl]methyl]piperidin-3-ol
CID 102966649
5-[(3-ethoxypiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62207953
N-ethyl-5-(morpholin-4-ylmethyl)pyridin-2-amine
CID 62177527
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471583
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one
CID 62208505
5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
5-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 103099209
6-(1-oxo-1,4-thiazinan-4-yl)-N-propylpyrazin-2-amine
CID 80805378
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145

Frequently Asked Questions

What is the IUPAC name of 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine (CID 55046608) is 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine is CCCNc1ccc(CN2CCS(=O)CC2)cn1.
What is the InChIKey of 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is WTUMPNOUSWQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-5-14-13-4-3-12(10-15-13)11-16-6-8-18(17)9-7-16/h3-4,10H,2,5-9,11H2,1H3,(H,14,15).
What are the key properties of 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine?
5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 55046608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).